[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C8H9F3N2O — CID 121213175

IUPAC[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4/h4,14H,1-3H2,(H,12,13)
InChIKeyQJSHTJTUMRSBMN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.80
Rot. Bonds2

About [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 121213175) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID121213175
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4/h4,14H,1-3H2,(H,12,13)
InChIKeyQJSHTJTUMRSBMN-UHFFFAOYSA-N
XLogP1.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 121213175) is [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is OCc1c(C(F)(F)F)n[nH]c1C1CC1.
What is the InChIKey of [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is QJSHTJTUMRSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7-5(3-14)6(12-13-7)4-1-2-4/h4,14H,1-3H2,(H,12,13).
What are the key properties of [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 206.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121213175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).